2-methoxy-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenol

Systemtic Name: 2-methoxy-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenol Openeye Name: 2-methoxy-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenol CAS Name: 2-methoxy-5-[(4-phenyl-1-piperazin-1-iumyl)methyl]phenol IUPAC Name: 2-methoxy-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenol Traditional Name: 2-methoxy-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenol Formula: C18H23N2O2+ MolecularWeight: 299.38742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC=C3)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC=C3)O

InChI

InChI=1S/C18H22N2O2/c1-22-18-8-7-15(13-17(18)21)14-19-9-11-20(12-10-19)16-5-3-2-4-6-16/h2-8,13,21H,9-12,14H2,1H3/p+1